422463

Source:http://linkedlifedata.com/resource/chembl/compound/422463

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C21H21ClF2N2O3/c1-21(2,3)26(20(28)13-7-6-12(23)11-16(13)24)25-19(27)15-8-9-17-14(18(15)22)5-4-10-29-17/h6-9,11H,4-5,10H2,1-3H3,(H,25,27)
chemicalCompound:standardIn...	GKYYGLBLKCGFDB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)(C)N(NC(=O)c1ccc2OCCCc2c1Cl)C(=O)c3ccc(F)cc3F
chemicalCompound:molecularF...	C21 H21 Cl F2 N2 O3
chemicalCompound:moleculeId	422463
chemicalCompound:mwFreebase	422.853
chemicalCompound:alogp	4.598
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	58.64
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.837
chemicalCompound:acdLogP	3.655
chemicalCompound:acdLogD	3.654
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	422.853
chemicalCompound:chemblId	CHEMBL252270
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:522463
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:2069875